UCSF

ZINC22264114

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2008 22 No

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Annotations

Vendors

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.10 3.78 -36.06 4 7 1 92 299.358 3
Mid Mid (pH 6-8) 0.10 3.49 -12.98 3 7 0 91 298.35 3
Lo Low (pH 4.5-6) 0.10 4.19 -83.45 5 7 2 93 300.366 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )